PHENYLTHIOACETONITRILE

CAS No.
5219-61-4
CCD No.
CCD00017042
Formula
C8 H7 N S
MolWeight
149.216

Basic Information

Product Name: PHENYLTHIOACETONITRILE
CAS: 5219-61-4
English Synonyms: CYANOMETHYL PHENYL SULFIDE ; 2-(PHENYLSULFANYL)ACETONITRILE ; PHENYLMERCAPTOACETONITRILE ; 2-(PHENYLTHIO)ACETONITRILE ; PHENYLTHIOACETONITRILE
MDL Number.: MFCD00019831
H bond acceptor: 1
H bond donor: 0
Smile: c1ccc(cc1)SCC#N
InChi: InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChiKey: InChIKey=QMJWPWCKRKHUNY-UHFFFAOYSA-N

Property

Boiling Point: 146-147 DEG C/14 MMHG(LIT)
Density: 1.142g/mLat25°C(lit.)
Physical Property: FLASHPOINT: 113 DEG C
FLASHPOINT: 235.4 DEG F
REFRACTIVE INDEX: N20/D 1.583
REFRACTIVE INDEX: N20/D 1.583(LIT)
Comments: ASSAY METHOD: GC
OTHER NOTES: MICHAEL ADDITIONS
OTHER NOTES: VERSATILE CH-ACIDIC COMPOUND
OTHER NOTES: VICARIOUS SUBSTITUTION OF HYDROGEN IN ARYLS
RTECS: AM1900000
UNSPSC: 12352100
WGK: 3
Specification: TECHNICAL GRADE

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302
hazard symbol: Xn
Risk Code: R:22
Safe Code: S:23-24/25
WGK Germany: 3

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